[3-(pyridin-3-yloxymethyl)-1-benzofuran-5-yl]methanamine

C15H14N2O2 — CID 117174169

IUPAC[3-(pyridin-3-yloxymethyl)-1-benzofuran-5-yl]methanamine
SMILESNCc1ccc2occ(COc3cccnc3)c2c1
InChIInChI=1S/C15H14N2O2/c16-7-11-3-4-15-14(6-11)12(10-19-15)9-18-13-2-1-5-17-8-13/h1-6,8,10H,7,9,16H2
InChIKeyLBONGNRXHVNAEG-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.87
Rot. Bonds4

About [3-(pyridin-3-yloxymethyl)-1-benzofuran-5-yl]methanamine

[3-(pyridin-3-yloxymethyl)-1-benzofuran-5-yl]methanamine (PubChem CID 117174169) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is [3-(pyridin-3-yloxymethyl)-1-benzofuran-5-yl]methanamine.

Molecular Properties

Compound Name[3-(pyridin-3-yloxymethyl)-1-benzofuran-5-yl]methanamine
PubChem CID117174169
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name[3-(pyridin-3-yloxymethyl)-1-benzofuran-5-yl]methanamine
SMILESNCc1ccc2occ(COc3cccnc3)c2c1
InChIInChI=1S/C15H14N2O2/c16-7-11-3-4-15-14(6-11)12(10-19-15)9-18-13-2-1-5-17-8-13/h1-6,8,10H,7,9,16H2
InChIKeyLBONGNRXHVNAEG-UHFFFAOYSA-N
XLogP2.87
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[5-(aminomethyl)-1-benzofuran-3-yl]methoxy]phenol
CID 117174167
[3-[(4-methylphenoxy)methyl]-1-benzofuran-5-yl]methanamine
CID 117174164
[3-(propan-2-yloxymethyl)-1-benzofuran-5-yl]methanamine
CID 117174176
3-(pyridin-3-yloxymethyl)-1-benzofuran-4-amine
CID 117170427
pyridin-3-yl 2-(5-ethyl-1-benzofuran-3-yl)acetate
CID 18872561
[3-(pyridin-3-yloxymethyl)-2-pyridinyl]methanamine
CID 62894701
[3-(pyridin-3-yloxymethyl)-1-benzofuran-2-yl]methanamine
CID 62452295
N-[[5-(aminomethyl)-1-benzofuran-3-yl]methyl]ethanamine
CID 117174172
3-[(4-hydroxyphenoxy)methyl]-1-benzofuran-5-ol
CID 117174309
[2-methyl-5-(pyridin-3-yloxymethyl)furan-3-yl]methanamine
CID 62449563
3-(furan-3-ylmethoxy)pyridine
CID 112558860
3-[(4-methylphenyl)methoxy]pyridine
CID 58445986

Frequently Asked Questions

What is the IUPAC name of [3-(pyridin-3-yloxymethyl)-1-benzofuran-5-yl]methanamine?
The IUPAC name of [3-(pyridin-3-yloxymethyl)-1-benzofuran-5-yl]methanamine (CID 117174169) is [3-(pyridin-3-yloxymethyl)-1-benzofuran-5-yl]methanamine.
What is the SMILES notation for [3-(pyridin-3-yloxymethyl)-1-benzofuran-5-yl]methanamine?
The canonical SMILES for [3-(pyridin-3-yloxymethyl)-1-benzofuran-5-yl]methanamine is NCc1ccc2occ(COc3cccnc3)c2c1.
What is the InChIKey of [3-(pyridin-3-yloxymethyl)-1-benzofuran-5-yl]methanamine?
The InChIKey is LBONGNRXHVNAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c16-7-11-3-4-15-14(6-11)12(10-19-15)9-18-13-2-1-5-17-8-13/h1-6,8,10H,7,9,16H2.
What are the key properties of [3-(pyridin-3-yloxymethyl)-1-benzofuran-5-yl]methanamine?
[3-(pyridin-3-yloxymethyl)-1-benzofuran-5-yl]methanamine has a molecular weight of 254.29 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(pyridin-3-yloxymethyl)-1-benzofuran-5-yl]methanamine is sourced from PubChem (CID 117174169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).